		15min:

VIBRATIONAL SPECTRA AND THEORETICAL CALCULATIONS FOR 2-METHYLCYCLOPENTANONE.

ARNOLD DEL ROSARIO, KEVIN MORRIS, JAAN LAANE, Department of Chemistry, Texas A\&M University, College Station, TX 77843.

The liquid and vapor phase far-infrared, mid-infrared and Raman spectra of 2-methylcyclopentanone have been recorded and analyzed. Semi-empirical (MM3) and ab-initio (Gaussian 94) calculations have also been performed to help assign the ground state spectra and predict ground state conformations. The low frequency modes were of special interest: the ring bending (75 cm^-1), the ring twisting (251 cm^-1), and the methyl torsion (209 cm^-1). Preliminary fluorescence studies of the C=O inversion in the S₁(n,^*) state have been carried out.